Geometry & MOs

Info

ID:	430851
PubChem CID:	135170918
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	45.63
Dipole, Da:	5.53
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)C#N

DOS

IR

Vibrations