Geometry & MOs

Info

ID:	170861
PubChem CID:	75287112
Reduced:	N4O4C26H33 (1)
Stoich.:	A4B4C26D33 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056576
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(4-methyl-6-oxo-2-phenyl-1,3-diazinan-1-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2C=CC=CC2=[N+](C1=O)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations