Geometry & MOs

Info

ID:	44199
PubChem CID:	10501947
Reduced:	S2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	4.02
IP(EA), eV:	-8.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-7-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](C([C@@H]3[C@@H](O2)CCCO3)(SC4=CC=CC=C4)SC5=CC=CC=C5)OC1

DOS

IR

Vibrations