Geometry & MOs

Info

ID:	129069
PubChem CID:	51068791
Reduced:	ClN3O4C29H30 (1)
Stoich.:	AB3C4D29E30 (1)
Weight, g/mol:	521.171749
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	6.91
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3OC)C(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations