Geometry & MOs

Info

ID:	136230
PubChem CID:	52002806
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	19.1
Dipole, Da:	1.84
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methoxyindazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=NN2CCC(=O)N3CCN(CC3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations