Geometry & MOs

Info

ID:	217923
PubChem CID:	85088597
Reduced:	N2O6C21H36 (1)
Stoich.:	A2B6C21D36 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-322.55
Dipole, Da:	5.02
IP(EA), eV:	-9.62(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3a-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindol-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C(=O)N2CCCC2C(=O)OC)O

DOS

IR

Vibrations