Geometry & MOs

Info

ID:	220329
PubChem CID:	85177302
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	4.09
IP(EA), eV:	-9.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CC(C2CC1N(C(=O)C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations