Geometry & MOs

Info

ID:	170909
PubChem CID:	75299414
Reduced:	N3O3C29H41 (1)
Stoich.:	A3B3C29D41 (1)
Weight, g/mol:	564.052274
ΔH_f, kcal/mol:	-59.45
Dipole, Da:	4.86
IP(EA), eV:	-8.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5

DOS

IR

Vibrations