Geometry & MOs

Info

ID:	179705
PubChem CID:	76520144
Reduced:	ClPN4O9C20H28 (1)
Stoich.:	ABC4D9E20F28 (1)
Weight, g/mol:	358.107078
ΔH_f, kcal/mol:	-353.46
Dipole, Da:	4.63
IP(EA), eV:	-10.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)-N-(2-chloroethyl)carbamate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=CC(O2)CC(C)(C3=CC=C(O3)[N+](=O)[O-])N(CCCCCl)P(=O)(O)O

DOS

IR

Vibrations