Geometry & MOs

Info

ID:	305794
PubChem CID:	124969432
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	357.160103
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	4.66
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[[(3R)-1-(5-fluoropyridin-2-yl)-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)[C@@H]2CCCN2C(=O)C3=CNC(=O)NC3=O

DOS

IR

Vibrations