Geometry & MOs

Info

ID:	236505
PubChem CID:	92713573
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	2.36
IP(EA), eV:	-8.32(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N[C@H]2CC3=C(C=CC(=C3)OC)OC2

DOS

IR

Vibrations