Geometry & MOs

Info

ID:	430098
PubChem CID:	135170155
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	0.69
IP(EA), eV:	-8.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NN1CC2=C(CCC2)C3=CCC(C=C31)ON4CCC(C4)(C)C

DOS

IR

Vibrations