Geometry & MOs

Info

ID:	4980
PubChem CID:	12372
Reduced:	NC7H13 (1)
Stoich.:	AB7C13 (1)
Weight, g/mol:	111.104799
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	4.01
IP(EA), eV:	-11.42(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptanenitrile

Drug info:

PubChemData

Smile

CCCCCCC#N

DOS

IR

Vibrations