Geometry & MOs

Info

ID:	236304
PubChem CID:	92712298
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	3.67
IP(EA), eV:	-9.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-4-phenylbutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC2=CC=C(O2)C(=O)NC[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations