Geometry & MOs

Info

ID:	331485
PubChem CID:	127248892
Reduced:	FO3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	4.93
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-methoxy-2-methylpropanoyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations