Geometry & MOs

Info

ID:	146085
PubChem CID:	53633656
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	12.96
Dipole, Da:	5.18
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(3-methylbutylidene)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NC=C(C=C2)C=O

DOS

IR

Vibrations