Geometry & MOs

Info

ID:	217366
PubChem CID:	85087703
Reduced:	N3O6C16H27 (1)
Stoich.:	A3B6C16D27 (1)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	-265.01
Dipole, Da:	4.46
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(7-cyanonaphthalen-2-yl)-2-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1CCCCCN1)N(C(=O)OCC)NC(=O)OCC

DOS

IR

Vibrations