Geometry & MOs

Info

ID:	242245
PubChem CID:	96079762
Reduced:	FNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	4.42
IP(EA), eV:	-9.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)[C@@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations