Geometry & MOs

Info

ID:	290761
PubChem CID:	110250061
Reduced:	N6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	112.45
Dipole, Da:	2.21
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-6-(4-methoxyphenyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=CN=C2C3CCCN(C3)CC4=CN=CC=C4

DOS

IR

Vibrations