Geometry & MOs

Info

ID:	202556
PubChem CID:	79686960
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	8.42
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-yl)-4-methylbenzonitrile

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations