Geometry & MOs

Info

ID:	372947
PubChem CID:	131307366
Reduced:	N3C9H17 (1)
Stoich.:	A3B9C17 (1)
Weight, g/mol:	167.142248
ΔH_f, kcal/mol:	14.97
Dipole, Da:	5.89
IP(EA), eV:	-8.9(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-methylazepane-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C#N)(C1CCN(C1)C)N

DOS

IR

Vibrations