Geometry & MOs

Info

ID:	430718
PubChem CID:	135170785
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	4.2
IP(EA), eV:	-8.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohex-3-en-1-yl]-N-ethyl-4-methoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations