Geometry & MOs

Info

ID:	345357
PubChem CID:	127269657
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	3.99
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[(2-piperidin-1-ylpyridin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCCSCC3)OC1

DOS

IR

Vibrations