Geometry & MOs

Info

ID:	333578
PubChem CID:	127252130
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	377.165188
ΔH_f, kcal/mol:	24.84
Dipole, Da:	5.58
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CN=C4

DOS

IR

Vibrations