Geometry & MOs

Info

ID:	330769
PubChem CID:	127248176
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	435.243439
ΔH_f, kcal/mol:	41.48
Dipole, Da:	1.41
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(3-fluoroanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)CC3=CN(N=C3)C)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations