Geometry & MOs

Info

ID:	162674
PubChem CID:	57551393
Reduced:	ClFO2N3H23C26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	383.120068
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	3.76
IP(EA), eV:	-8.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations