Geometry & MOs

Info

ID:	226030
PubChem CID:	87246645
Reduced:	O2P2C33H38 (1)
Stoich.:	A2B2C33D38 (1)
Weight, g/mol:	387.098584
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	4.48
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(2-chloro-5-pyrazol-1-ylphenoxy)methyl]phenyl]-N-methoxycarbamate

Drug info:

PubChemData

Smile

CCCC(C)(CCC)C(P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations