Geometry & MOs

Info

ID:	235208
PubChem CID:	92304223
Reduced:	ON2F3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	416.190006
ΔH_f, kcal/mol:	-177.26
Dipole, Da:	7.17
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-1-[(3-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)C[C@H](C1=CC(=CC=C1)C(F)(F)F)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations