Geometry & MOs

Info

ID:	393205
PubChem CID:	135019728
Reduced:	O2N3C14H15 (2)
Stoich.:	A2B3C14D15 (2)
Weight, g/mol:	304.193949
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	1.83
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzhydryl-[(3R)-hex-5-en-3-yl]amino]acetonitrile

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NC2=C(N=CC=C2)C3=C(C=CC=N3)NC(=O)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations