Geometry & MOs

Info

ID:	78391
PubChem CID:	49689414
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	3.1
IP(EA), eV:	-8.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-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

DOS

IR

Vibrations