Geometry & MOs

Info

ID:	283847
PubChem CID:	104012380
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	36.83
Dipole, Da:	6.25
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[amino-(4-tert-butylphenyl)methylidene]pentanenitrile

Drug info:

PubChemData

Smile

CCC/C(=C(\C1=CC=C(C=C1)C)/N)/C#N

DOS

IR

Vibrations