Geometry & MOs

Info

ID:	75841
PubChem CID:	48424054
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	402.179087
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	2.34
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[(2,4,6-trimethoxyphenyl)methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations