Geometry & MOs

Info

ID:	173932
PubChem CID:	75702602
Reduced:	N3O3C32H43 (1)
Stoich.:	A3B3C32D43 (1)
Weight, g/mol:	490.319543
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	5.23
IP(EA), eV:	-8.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N(CC2=CC=CO2)C(C3=CC=C(C=C3)N(C)C)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations