Geometry & MOs

Info

ID:	299808
PubChem CID:	117695700
Reduced:	O8N9C64H87 (1)
Stoich.:	A8B9C64D87 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-334.06
Dipole, Da:	6.25
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-methyliminobut-2-en-2-yl]aniline

Drug info:

Smile

C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCC(=C)/C=C\C=C/C2)CC(=O)C3=CC4=C(C=C3)C=CC(=C4)C(=O)N[C@H]5C[C@H](N(C5)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]6CCCC7=CC=CC=C67)C(C)(C)C)NC

DOS

IR

Vibrations