Geometry & MOs

Info

ID:	189949
PubChem CID:	77931016
Reduced:	O3N5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	509.208134
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	0.83
IP(EA), eV:	-8.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]cyclohexyl]acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)N(C1=O)CC3CCC(CC3)C(=O)NC4=CC=CC(=C)C4=CN(C)N

DOS

IR

Vibrations