Geometry & MOs

Info

ID:	331355
PubChem CID:	127248762
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	7.41
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-(2-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations