Geometry & MOs

Info

ID:	431055
PubChem CID:	135171125
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	34.6
Dipole, Da:	6.87
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C#N

DOS

IR

Vibrations