Geometry & MOs

Info

ID:	143324
PubChem CID:	53189227
Reduced:	O2F3N4C20H23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-199.72
Dipole, Da:	4.22
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=N1)N2CCC(CC2)CC(=O)NCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations