Geometry & MOs

Info

ID:	351092
PubChem CID:	127279529
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	2.32
IP(EA), eV:	-8.77(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)NC3CCN(CC3)C4CC4)C

DOS

IR

Vibrations