Geometry & MOs

Info

ID:	30585
PubChem CID:	841540
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-53.99
Dipole, Da:	2.82
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-nitropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O[C@H](C)C(=O)NC2=C(N=CC=C2)Cl)Cl

DOS

IR

Vibrations