Geometry & MOs

Info

ID:	175033
PubChem CID:	75848020
Reduced:	ON4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770597
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)NCCCC[N+]1=CNC=C1

DOS

IR

Vibrations