Geometry & MOs

Info

ID:	331438
PubChem CID:	127248845
Reduced:	FO2N6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	4.94
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations