Geometry & MOs

Info

ID:	311538
PubChem CID:	126593625
Reduced:	N2C19H40 (1)
Stoich.:	A2B19C40 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	2.5
IP(EA), eV:	-8.46(2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cycloheptylamino)ethanethiol

Drug info:

PubChemData

Smile

CCCCCCCC(CCCC)NC1CCCN(CC1)C

DOS

IR

Vibrations