Geometry & MOs

Info

ID:	247223
PubChem CID:	103068854
Reduced:	N2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	2.21
IP(EA), eV:	-8.63(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CCCC(C1)C

DOS

IR

Vibrations