Geometry & MOs

Info

ID:	130561
PubChem CID:	51091233
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	10.15
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(6-methylpyridin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NCCN2C=NC3=CC=CC=C32

DOS

IR

Vibrations