Geometry & MOs

Info

ID:	324248
PubChem CID:	126677229
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	1.85
IP(EA), eV:	-9.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-benzylpyrazol-3-yl)azepan-3-ol

Drug info:

PubChemData

Smile

C1C(CN2C1C3C2O3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations