Geometry & MOs

Info

ID:	431774
PubChem CID:	135171880
Reduced:	P3N6C9O10H15 (1)
Stoich.:	A3B6C9D10E15 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-474.3
Dipole, Da:	6.52
IP(EA), eV:	-9.33(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]-N-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(N=O)O

DOS

IR

Vibrations