Geometry & MOs

Info

ID:	381701
PubChem CID:	134972507
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-249.51
Dipole, Da:	6.34
IP(EA), eV:	-9.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-[(3S)-6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]carbamate

Drug info:

PubChemData

Smile

COCCOCOCC1=C(C(=CC(=C1)OC)OC)C(=O)C2=CC=CC=C2CO

DOS

IR

Vibrations