Geometry & MOs

Info

ID:	78393
PubChem CID:	49689432
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	5.8
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-3-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations