Geometry & MOs

Info

ID:	208854
PubChem CID:	80595110
Reduced:	S2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	225.155121
ΔH_f, kcal/mol:	24.63
Dipole, Da:	2.95
IP(EA), eV:	-8.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thian-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C(=C2)NCC3CCCCS3)N

DOS

IR

Vibrations