Geometry & MOs

Info

ID:	388468
PubChem CID:	134989240
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	2.53
Dipole, Da:	2.39
IP(EA), eV:	-9.68(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)/C=C/CC1=CC(=NC=C1)C(C)C

DOS

IR

Vibrations