Geometry & MOs

Info

ID:	135123
PubChem CID:	51817577
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-80.31
Dipole, Da:	1.78
IP(EA), eV:	-9.25(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-4-nitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=C(C=C1)C)C)N(CCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations