Geometry & MOs

Info

ID:	396024
PubChem CID:	135027214
Reduced:	NOH15C20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	86.08
Dipole, Da:	4.23
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenylbut-3-yn-2-yl) N-phenylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[N+](=C2C3=CC=CC=C3C4=CC=CC=C42)[O-]

DOS

IR

Vibrations