Geometry & MOs

Info

ID:	318235
PubChem CID:	126649969
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	345.195346
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	5.51
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2,5-dimethylpyrrol-1-yl)-4-(1H-pyrazol-4-ylmethyl)pyridine

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=C/C(=C\C=O)/C)C

DOS

IR

Vibrations