Geometry & MOs

Info

ID:	320736
PubChem CID:	126663145
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	3.18
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[3-(propan-2-ylamino)hex-1-en-2-yl]aniline

Drug info:

PubChemData

Smile

CCCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C4=CC=CC(=C4)C(=O)OC

DOS

IR

Vibrations