Geometry & MOs

Info

ID:	247395
PubChem CID:	103070728
Reduced:	SN2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	2.63
IP(EA), eV:	-8.29(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-dimethylazepan-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1CSCCN1CC(=C)CNC(C)(C)C

DOS

IR

Vibrations