Geometry & MOs

Info

ID:	200657
PubChem CID:	79423731
Reduced:	NOSC7H11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	2.63
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropyl)cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC(CCC1=CSC=N1)O

DOS

IR

Vibrations