Geometry & MOs

Info

ID:	79613
PubChem CID:	49829717
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	407.199563
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	5.77
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations