Geometry & MOs

Info

ID:	331384
PubChem CID:	127248791
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	10.44
Dipole, Da:	3.22
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C)C

DOS

IR

Vibrations