Geometry & MOs

Info

ID:	331422
PubChem CID:	127248829
Reduced:	FO2N5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	4.27
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations