Geometry & MOs

Info

ID:	217621
PubChem CID:	85088113
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	3.26
IP(EA), eV:	-8.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations