Geometry & MOs

Info

ID:	334642
PubChem CID:	127253317
Reduced:	N3O4C24H37 (1)
Stoich.:	A3B4C24D37 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-164.67
Dipole, Da:	3.95
IP(EA), eV:	-8.21(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one

Drug info:

PubChemData

Smile

COCCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations