Geometry & MOs

Info

ID:	393898
PubChem CID:	135021925
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	41.56
Dipole, Da:	8.54
IP(EA), eV:	-8.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,5R,7aR)-4-acetamido-7-cyclopropyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] but-2-ynoate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(C=C1)N(C)C)/C2=C(C(=O)C2=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C

DOS

IR

Vibrations