Geometry & MOs

Info

ID:	215890
PubChem CID:	85085397
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	3.74
IP(EA), eV:	-9.19(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(1-phenylethyl)but-3-enenitrile

Drug info:

PubChemData

Smile

CCCC1CCCC(N1)CC(=O)O

DOS

IR

Vibrations