Geometry & MOs

Info

ID:	174406
PubChem CID:	75761137
Reduced:	NOC13H19 (2)
Stoich.:	ABC13D19 (2)
Weight, g/mol:	436.308979
ΔH_f, kcal/mol:	-90.04
Dipole, Da:	3.16
IP(EA), eV:	-9.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexylamino)-1-oxopent-3-en-2-yl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)C2CC3CC(C2C)C3(C)C

DOS

IR

Vibrations