Geometry & MOs

Info

ID:	317659
PubChem CID:	126644883
Reduced:	N2F3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-134.41
Dipole, Da:	5.91
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[(3-prop-1-en-2-ylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(=NNC2=CC=C(C=C2)C(C(F)F)F)CC1)C

DOS

IR

Vibrations