Geometry & MOs

Info

ID:	252136
PubChem CID:	103109397
Reduced:	ClO3N4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	2.77
IP(EA), eV:	-10.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CN1C(=C(N=N1)C(=O)OCC)CCl

DOS

IR

Vibrations