Geometry & MOs

Info

ID:	331260
PubChem CID:	127248667
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	6.83
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[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)CN3CCOCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations