Geometry & MOs

Info

ID:	256361
PubChem CID:	103138759
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-95.0
Dipole, Da:	2.6
IP(EA), eV:	-8.71(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNCCOC)C2=CC=CC(=C2)C

DOS

IR

Vibrations