Geometry & MOs

Info

ID:	331784
PubChem CID:	127250068
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	5.15
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=CC(=NC=C4)NC

DOS

IR

Vibrations