Geometry & MOs

Info

ID:	195853
PubChem CID:	78743201
Reduced:	O2N3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	4.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.384102
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C[NH2+]C(C1=CC=CC=C1)C2=CC=C(C=C2)C

DOS

IR

Vibrations