Geometry & MOs

Info

ID:	305475
PubChem CID:	124955898
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	2.32
IP(EA), eV:	-9.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)NCC2=CN=CC(=N2)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations