Geometry & MOs

Info

ID:	85018
PubChem CID:	49871315
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	346.10842
ΔH_f, kcal/mol:	-207.6
Dipole, Da:	1.66
IP(EA), eV:	-10.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-(4-chloroanilino)-2-methyl-1-(4-nitrophenyl)pentan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N([C@H]1CN(C1=O)C(=O)CCCC=C)C(=O)CCCC=C

DOS

IR

Vibrations