Geometry & MOs

Info

ID:	430955
PubChem CID:	135171025
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	3.47
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(pyrimidin-5-ylmethylamino)cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1C[C@@H](COC1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations