Geometry & MOs

Info

ID:	233659
PubChem CID:	91148254
Reduced:	ClNF3O3C25H25 (1)
Stoich.:	ABC3D3E25F25 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-252.47
Dipole, Da:	4.59
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C3C(=O)C4CCC(C3=O)(C4(C)C)C

DOS

IR

Vibrations