Geometry & MOs

Info

ID:	46983
PubChem CID:	10528756
Reduced:	PO5N6C18H34 (1)
Stoich.:	AB5C6D18E34 (1)
Weight, g/mol:	480.177562
ΔH_f, kcal/mol:	-201.21
Dipole, Da:	9.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753278
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl-[2-[4-[(3-methoxy-4-nitrophenyl)methoxycarbonyl-methylamino]phenyl]acetyl]azanium;chloride

Drug info:

PubChemData

Smile

CC(C)OP(=O)(COC(CN1C=NC2=C1NC(=NC2=O)N)C[N+](C)(C)C)OC(C)C

DOS

IR

Vibrations