Geometry & MOs

Info

ID:	441214
PubChem CID:	135233649
Reduced:	NC14H15 (1)
Stoich.:	AB14C15 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	55.76
Dipole, Da:	1.29
IP(EA), eV:	-7.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-(3-hydroxy-5-oxo-4-propanoylcyclohexa-1,3-dien-1-yl)hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CCNC(=C1)C2=CC=CC=C2C=C

DOS

IR

Vibrations