Geometry & MOs

Info

ID:	333118
PubChem CID:	127251666
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	4.19
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=CC=CC(=N4)C)C)OC

DOS

IR

Vibrations