Geometry & MOs

Info

ID:	236500
PubChem CID:	92713510
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	1.02
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N[C@@H]2CC3=CC=CC=C3OC2

DOS

IR

Vibrations