Geometry & MOs

Info

ID:	122593
PubChem CID:	50813688
Reduced:	O3N7C22H23 (1)
Stoich.:	A3B7C22D23 (1)
Weight, g/mol:	477.145534
ΔH_f, kcal/mol:	60.6
Dipole, Da:	9.98
IP(EA), eV:	-8.56(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2CC(=O)N=C3C2=CNN3C4=NN5C(=NN=C5C=C4)C)OC

DOS

IR

Vibrations