Geometry & MOs

Info

ID:	72992
PubChem CID:	48416772
Reduced:	ON3H8C10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	373.133888
ΔH_f, kcal/mol:	73.43
Dipole, Da:	7.84
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations