Geometry & MOs

Info

ID:	382133
PubChem CID:	134973083
Reduced:	ON2C34H35 (1)
Stoich.:	AB2C34D35 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	53.48
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.850977
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6S)-4-[(4-nitrophenyl)methoxy]tricyclo[4.4.0.01,5]dec-3-ene

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75

DOS

IR

Vibrations