Geometry & MOs

Info

ID:	406025
PubChem CID:	135076316
Reduced:	ClNH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	27.81
Dipole, Da:	2.17
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-15-methyl-7-nitro-3-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,15-hexaene

Drug info:

PubChemData

Smile

CC1=CC2CC(C1)CC3=C(C4=CC=CC=C4N=C23)Cl

DOS

IR

Vibrations