Geometry & MOs

Info

ID:	331486
PubChem CID:	127248893
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	3.08
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations