Geometry & MOs

Info

ID:	437036
PubChem CID:	135213996
Reduced:	ON4C26H28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	46.94
Dipole, Da:	8.4
IP(EA), eV:	-9.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)-3-phenylpropyl]-methylamino]-6-(thiophen-3-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=CC=C1)CNC2=NC(=O)C=C(N2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations