Geometry & MOs

Info

ID:	27427
PubChem CID:	821307
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	3.47
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,3aR,4R,7S,7aS,7bS)-3a-(hydroxymethyl)-1,1,7-trimethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations