Geometry & MOs

Info

ID:	442368
PubChem CID:	135251624
Reduced:	FH17C21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	12.79
Dipole, Da:	2.31
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylpyrrolo[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(C3=C2C=CC(=C3)F)(C)C4=CC=CC=C4

DOS

IR

Vibrations