Geometry & MOs

Info

ID:	78389
PubChem CID:	49689408
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-63.22
Dipole, Da:	2.59
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)NC2=CC=CC=C2F)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations