Geometry & MOs

Info

ID:	65269
PubChem CID:	29211853
Reduced:	O2N3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	6.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893547
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-methyl-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)[C@@H]2CCC[NH+](C2)CC3=CC=C(O3)COC

DOS

IR

Vibrations