Geometry & MOs

Info

ID:	80263
PubChem CID:	49833777
Reduced:	BrN3O4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	432.12407
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	4.86
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1[C@H]2C=C[C@H]([C@H]1C(=O)NC3=CC=C(C=C3)Br)C24CC4

DOS

IR

Vibrations