Geometry & MOs

Info

ID:	369446
PubChem CID:	127333408
Reduced:	O2F3N4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-190.26
Dipole, Da:	8.59
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-chromen-6-yl)-1-[2-(dimethylamino)ethyl]-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(C)C(=O)NC2=CC3=C(C=C2)OC(=N3)C(F)(F)F

DOS

IR

Vibrations