Geometry & MOs

Info

ID:	437035
PubChem CID:	135213993
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	412.226312
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	3.56
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN(CC1CC2=C(CN1)C=C(C=C2)O)C(=O)NCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations