Geometry & MOs

Info

ID:	427926
PubChem CID:	135165486
Reduced:	ON7H35C36 (1)
Stoich.:	AB7C35D36 (1)
Weight, g/mol:	220.065493
ΔH_f, kcal/mol:	103.64
Dipole, Da:	5.61
IP(EA), eV:	-8.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-propan-2-ylnaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CO)C

DOS

IR

Vibrations