Geometry & MOs

Info

ID:	314897
PubChem CID:	126623941
Reduced:	FO3N7C29H30 (1)
Stoich.:	AB3C7D29E30 (1)
Weight, g/mol:	420.171002
ΔH_f, kcal/mol:	-79.72
Dipole, Da:	6.72
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN=C(C=C5)N)C(=O)N)F

DOS

IR

Vibrations