Geometry & MOs

Info

ID:	143423
PubChem CID:	53207426
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-11.93
Dipole, Da:	0.87
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)Cl)N2C3=CC=CC=C3C4=C2C(=O)N(N=C4)C

DOS

IR

Vibrations