Geometry & MOs

Info

ID:	171829
PubChem CID:	75432148
Reduced:	NOSC10H13 (2)
Stoich.:	ABCD10E13 (2)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	3.6
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N(C)C2CCCCC2N(C)C(=O)C3=CC=C(S3)C

DOS

IR

Vibrations