Geometry & MOs

Info

ID:	31752
PubChem CID:	3712514
Reduced:	ClOSN4H13C17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	97.78
Dipole, Da:	6.44
IP(EA), eV:	-9.21(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations