Geometry & MOs

Info

ID:	143425
PubChem CID:	53207428
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.09
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)N2C3=CC=CC=C3C4=C2C(=O)N(N=C4)C

DOS

IR

Vibrations