Geometry & MOs

Info

ID:	331358
PubChem CID:	127248765
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	4.75
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations