Geometry & MOs

Info

ID:	80412
PubChem CID:	49834334
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	478.06922
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	5.68
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl) 6-bromo-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

DOS

IR

Vibrations