Geometry & MOs

Info

ID:	414341
PubChem CID:	135087297
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	2.16
IP(EA), eV:	-9.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations