Geometry & MOs

Info

ID:	330763
PubChem CID:	127248170
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	376.169939
ΔH_f, kcal/mol:	42.69
Dipole, Da:	8.0
IP(EA), eV:	-8.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(3-fluoroanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=NC(=C2)C)C3CCN(C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations