Geometry & MOs

Info

ID:	162688
PubChem CID:	57551435
Reduced:	FO2N3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	-69.32
Dipole, Da:	3.24
IP(EA), eV:	-8.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations