Geometry & MOs

Info

ID:	293018
PubChem CID:	117370267
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	2.96
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethoxyethyl)-3-(1-isocyanatocyclopropyl)benzene

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=CC(=C2OC)C(CO)N

DOS

IR

Vibrations