Geometry & MOs

Info

ID:	78394
PubChem CID:	49689434
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	407.156909
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	6.18
IP(EA), eV:	-8.87(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations