Geometry & MOs

Info

ID:	162338
PubChem CID:	57394343
Reduced:	F2N2O2H26C27 (1)
Stoich.:	A2B2C2D26E27 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	3.33
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC3=CC=CC=C32)C(=O)[C@H]4CNCC[C@]45C6=CC(=C(C=C6CO5)F)F

DOS

IR

Vibrations