Geometry & MOs

Info

ID:	319238
PubChem CID:	126655413
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	92.02
Dipole, Da:	1.91
IP(EA), eV:	-8.02(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(1H-pyrazol-5-yl)azepane-3,4-diol

Drug info:

PubChemData

Smile

C=CCCCN(CC=C)C1=NN(C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations