Geometry & MOs

Info

ID:	297472
PubChem CID:	117618611
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	1.48
IP(EA), eV:	-9.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-pyridin-2-ylheptan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=CC=N2)(C(C)(C)C)O

DOS

IR

Vibrations