Geometry & MOs

Info

ID:	331359
PubChem CID:	127248766
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	2.25
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-4-[4-(pyridine-2-carbonyl)morpholin-2-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations