Geometry & MOs

Info

ID:	371749
PubChem CID:	131271460
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	4.76
IP(EA), eV:	-9.26(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(oxepan-4-yl)butanenitrile

Drug info:

PubChemData

Smile

CC(C)[C@H]1COCCC(N1)CC#N

DOS

IR

Vibrations