Geometry & MOs

Info

ID:	189350
PubChem CID:	77843914
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	5.3
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclohexyl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenol

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=N1)C(=O)N2CC3CCC(C2)N(C3=O)CC=C(C)C

DOS

IR

Vibrations