Geometry & MOs

Info

ID:	149862
PubChem CID:	53789541
Reduced:	PN5O7C35H44 (1)
Stoich.:	AB5C7D35E44 (1)
Weight, g/mol:	305.082358
ΔH_f, kcal/mol:	-276.8
Dipole, Da:	8.65
IP(EA), eV:	-9.01(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis(2-chloroethyl)-methyl-[(4-methylphenyl)-nitromethyl]azanium

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@]([C@H](O2)C(N(N(C(C)C)C(C)C)P(O)O)O)(NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations