Geometry & MOs

Info

ID:	165240
PubChem CID:	74519902
Reduced:	NOC5H8 (3)
Stoich.:	ABC5D8 (3)
Weight, g/mol:	488.311104
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	8.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.095209
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C[NH+](C)C(C)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations