Geometry & MOs

Info

ID:	46448
PubChem CID:	10524443
Reduced:	SN2O3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	3.04
IP(EA), eV:	-8.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-anilino-4,5-dihydrobenzo[g]indazol-2-yl)-N-(2-ethoxyethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC3=NNC(=C32)CSC4=CC=CC(=C4)C(=O)O

DOS

IR

Vibrations