Geometry & MOs

Info

ID:	216104
PubChem CID:	85085733
Reduced:	O5C11H16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-224.54
Dipole, Da:	2.47
IP(EA), eV:	-9.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-2-(3-methoxyphenyl)penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC1CC(C2C1C(OC=C2C(=O)OC)O)O

DOS

IR

Vibrations