Geometry & MOs

Info

ID:	431065
PubChem CID:	135171135
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	33.6
Dipole, Da:	3.78
IP(EA), eV:	-8.85(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(1,3-thiazol-2-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OCC#C)C(=O)C3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations