Geometry & MOs

Info

ID:	331423
PubChem CID:	127248830
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-68.52
Dipole, Da:	4.89
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-1-[2-[2-(dimethylamino)-5-(4-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)OC)N(C)C

DOS

IR

Vibrations