Geometry & MOs

Info

ID:	418692
PubChem CID:	135106573
Reduced:	N5O6C33H43 (1)
Stoich.:	A5B6C33D43 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	9.49
IP(EA), eV:	-6.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,3-N-dimethyl-2-N-[3-(4-methylphenyl)propyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)[C@@H](C3=CC=CC=C3)OC)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations