Geometry & MOs

Info

ID:	156698
PubChem CID:	56371774
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	1.14
IP(EA), eV:	-8.67(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CCCC(C1C)N(CC2=CC3=C(C=C2)OCO3)CC(=O)NCC(=O)N4CCCC4

DOS

IR

Vibrations