Geometry & MOs

Info

ID:	204576
PubChem CID:	79984420
Reduced:	ClN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	266.178299
ΔH_f, kcal/mol:	55.32
Dipole, Da:	3.78
IP(EA), eV:	-8.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(4-cyclopropylphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1C2=CC(=CC=C2)C(CN)NC3=CC=CC=C3Cl

DOS

IR

Vibrations