Geometry & MOs

Info

ID:	307600
PubChem CID:	125307704
Reduced:	N4O4H14C15 (1)
Stoich.:	A4B4C14D15 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	2.32
IP(EA), eV:	-9.91(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-5-pentyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)N=C1/C=N\NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations