Geometry & MOs

Info

ID:	23791
PubChem CID:	606099
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	384.277678
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	4.0
IP(EA), eV:	-8.51(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,7-trimethyl-3-[[2-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methylamino]ethylamino]methylidene]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2=CNCCNC=C3C4CCC(C3=O)(C4(C)C)C)C)C

DOS

IR

Vibrations