Geometry & MOs

Info

ID:	331390
PubChem CID:	127248797
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	2.97
IP(EA), eV:	-8.63(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations