Geometry & MOs

Info

ID:	356800
PubChem CID:	127292340
Reduced:	O2N5C18H33 (1)
Stoich.:	A2B5C18D33 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	0.85
IP(EA), eV:	-8.38(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpyrimidin-4-yl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC(C)CN3CCCC3=O

DOS

IR

Vibrations