Geometry & MOs

Info

ID:	265177
PubChem CID:	103512883
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-28.74
Dipole, Da:	4.46
IP(EA), eV:	-10.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenoxy)propanoyl isocyanate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N=C=O

DOS

IR

Vibrations