Geometry & MOs

Info

ID:	425957
PubChem CID:	135133546
Reduced:	NOH17C25 (2)
Stoich.:	ABC17D25 (2)
Weight, g/mol:	369.156591
ΔH_f, kcal/mol:	152.29
Dipole, Da:	3.79
IP(EA), eV:	-7.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(aziridin-1-yl)phosphoryloxy-cyclohexylmethyl]-1-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

C/C(=C\C=C\1/C(=C)C2=CC=CC=C2N1C3=CC=CC=C3)/C4=CC5=C(C=C4)OC6=C(C5=O)C=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations