Geometry & MOs

Info

ID:	78392
PubChem CID:	49689430
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	2.12
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-3-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3)OC

DOS

IR

Vibrations