Geometry & MOs

Info

ID:	430731
PubChem CID:	135170798
Reduced:	ON3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	4.85
IP(EA), eV:	-8.48(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4N3)C

DOS

IR

Vibrations