Geometry & MOs

Info

ID:	331352
PubChem CID:	127248759
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	25.05
Dipole, Da:	3.99
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=NC(=NC=C2C3=CN=CN=C3)N(C)C

DOS

IR

Vibrations