Geometry & MOs

Info

ID:	195861
PubChem CID:	78743209
Reduced:	O2N3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.373702
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NCC(=O)N

DOS

IR

Vibrations