Geometry & MOs

Info

ID:	331489
PubChem CID:	127248896
Reduced:	FO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	3.42
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[4-(2-propan-2-yloxyacetyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)OCC(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)N(C)C

DOS

IR

Vibrations