Geometry & MOs

Info

ID:	413282
PubChem CID:	135086229
Reduced:	NOC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	45.1
Dipole, Da:	4.95
IP(EA), eV:	-9.27(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(methoxymethoxymethyl)cyclohexa-2,5-dien-1-yl]but-2-ynoate

Drug info:

PubChemData

Smile

C[N+](C)(CCC#C)[O-]

DOS

IR

Vibrations