Geometry & MOs

Info

ID:	235209
PubChem CID:	92304224
Reduced:	FN2O2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	416.190006
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	3.55
IP(EA), eV:	-8.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1C=C(N2CC3=CC(=CC=C3)F)C(=O)N[C@@H](C)C4=CC=CC=C4

DOS

IR

Vibrations