Geometry & MOs

Info

ID:	186881
PubChem CID:	77500667
Reduced:	N3O7C36H45 (1)
Stoich.:	A3B7C36D45 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-230.28
Dipole, Da:	8.04
IP(EA), eV:	-8.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)-2,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1(CC(C(CN1C(=O)OCC2=CC=CC=C2)OCC3=CC4=C(C=C3)OCCN4CCCOC)C5=CC=C(C=C5)OC)C(=O)NC

DOS

IR

Vibrations