Geometry & MOs

Info

ID:	359285
PubChem CID:	127297882
Reduced:	O2N4C21H36 (1)
Stoich.:	A2B4C21D36 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	4.41
IP(EA), eV:	-8.98(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(1-piperidin-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)NC(C3CC3)C4CC4

DOS

IR

Vibrations