Geometry & MOs

Info

ID:	331347
PubChem CID:	127248754
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-57.98
Dipole, Da:	1.74
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations