Geometry & MOs

Info

ID:	216331
PubChem CID:	85086061
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-12.1
Dipole, Da:	7.05
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-pyridin-4-ylhexan-3-yl)phenol

Drug info:

PubChemData

Smile

CCC(=O)N1CC2C(C1)NNC2C3=CC=CC=C3C

DOS

IR

Vibrations