Geometry & MOs

Info

ID:	390886
PubChem CID:	135001434
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	1.14
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(E)-3-(cyclohepten-1-yl)prop-2-enoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C/C=C/C1=C(C2=CC=CC=C2O1)C

DOS

IR

Vibrations