Geometry & MOs

Info

ID:	231605
PubChem CID:	87574298
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-152.67
Dipole, Da:	5.4
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanato-3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]propanal

Drug info:

PubChemData

Smile

CC(C)(C)OC(CC=O)(C1=CC(=CC=C1)OC)NC=O

DOS

IR

Vibrations