Geometry & MOs

Info

ID:	214197
PubChem CID:	84974594
Reduced:	O2N3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	7.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757336
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=CC=C(C=C1)C(C)C

DOS

IR

Vibrations