Geometry & MOs

Info

ID:	168161
PubChem CID:	74930742
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	4.72
IP(EA), eV:	-10.14(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-(2-aminoethyl)-5-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]pyrazol-3-yl]benzoate

Drug info:

PubChemData

Smile

CC1(OC2C(=O)OCC2(O1)C3CCCCC3)C

DOS

IR

Vibrations