Geometry & MOs

Info

ID:	369386
PubChem CID:	127333008
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	2.13
IP(EA), eV:	-9.28(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(1-hydroxycycloheptyl)methyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C(C2=CC=CC=C2)N3CCCCC3=O)O

DOS

IR

Vibrations