Geometry & MOs

Info

ID:	144037
PubChem CID:	53303512
Reduced:	FN7H18C21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	88.61
Dipole, Da:	12.82
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C3=CC(=CC=C3)F)C(C)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations