Geometry & MOs

Info

ID:	392027
PubChem CID:	135012049
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	111.068414
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	2.16
IP(EA), eV:	-9.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-ethoxybut-3-enenitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations