Geometry & MOs

Info

ID:	310878
PubChem CID:	126588347
Reduced:	ClON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	27.42
Dipole, Da:	3.14
IP(EA), eV:	-8.3(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[[4-(5-chloro-1-methylpyrazol-3-yl)-2-methylphenoxy]methyl]-3-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N)COC2=C(C=C(C=C2)C3=NN(C(=C3)Cl)C)C

DOS

IR

Vibrations