Geometry & MOs

Info

ID:	145809
PubChem CID:	53597431
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	28.18
Dipole, Da:	4.2
IP(EA), eV:	-8.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCN(C4=CC=CC=C43)C

DOS

IR

Vibrations