Geometry & MOs

Info

ID:	339368
PubChem CID:	127261264
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	5.64
IP(EA), eV:	-8.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4Z,8Z)-4,9-dimethyl-12-methylidenecyclododeca-4,8-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C=N/NC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

DOS

IR

Vibrations