Geometry & MOs

Info

ID:	430843
PubChem CID:	135170910
Reduced:	ON3F4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	532.247441
ΔH_f, kcal/mol:	-199.4
Dipole, Da:	4.91
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[4-(4-prop-2-ynoxybenzoyl)phenyl]methylamino]cyclohex-3-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations