Geometry & MOs

Info

ID:	196796
PubChem CID:	78880050
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	422.197235
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	2.52
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)NCCOC3=CC(=CC=C3)F

DOS

IR

Vibrations