Geometry & MOs

Info

ID:	331354
PubChem CID:	127248761
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-10.0
Dipole, Da:	6.6
IP(EA), eV:	-9.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations