Geometry & MOs

Info

ID:	331259
PubChem CID:	127248666
Reduced:	FO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	2.9
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)CCOC)C3=CC(=CC=C3)F

DOS

IR

Vibrations