Geometry & MOs

Info

ID:	163354
PubChem CID:	57837875
Reduced:	NOC10H11 (3)
Stoich.:	ABC10D11 (3)
Weight, g/mol:	388.085767
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	7.17
IP(EA), eV:	-8.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dichloroanilino)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C4=CC=CC=C4)CN5CCCCC5)C)C

DOS

IR

Vibrations