Geometry & MOs

Info

ID:	236509
PubChem CID:	92713638
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	3.69
IP(EA), eV:	-8.38(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)N[C@@H]2CC3=C(C=CC(=C3)OC)OC2

DOS

IR

Vibrations