Geometry & MOs

Info

ID:	188146
PubChem CID:	77673848
Reduced:	ClO3N6C15H19 (1)
Stoich.:	AB3C6D15E19 (1)
Weight, g/mol:	360.196841
ΔH_f, kcal/mol:	-47.51
Dipole, Da:	2.5
IP(EA), eV:	-9.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)-1,2,3,3a,4,5,5a,6,6a,7,8,9,10,10a,10b,10c-hexadecahydropyrrolo[3,4-c]carbazol-9-yl]methanol

Drug info:

PubChemData

Smile

CC(N1C(=O)C2C(C(=O)N1)NC3CC(CCC3C2=O)Cl)N4N=CC=N4

DOS

IR

Vibrations