Geometry & MOs

Info

ID:	357748
PubChem CID:	127294461
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-10.56
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-morpholin-4-ylpyridin-3-yl)methyl]-3-(1-propylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations