Geometry & MOs

Info

ID:	160018
PubChem CID:	57304387
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	6.81
Dipole, Da:	3.87
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethoxypent-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC(=O)C2=CC3=CC4=C(C3)CCCC4

DOS

IR

Vibrations