Geometry & MOs

Info

ID:	388569
PubChem CID:	134989528
Reduced:	ClNSO4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	204.162649
ΔH_f, kcal/mol:	68.42
Dipole, Da:	14.72
IP(EA), eV:	-9.15(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3,6,7,8-tetrahydrocyclopenta[c]azepin-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=S(C=C2)OCl(=O)(=O)=O

DOS

IR

Vibrations