Geometry & MOs

Info

ID:	343137
PubChem CID:	127266310
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	310.094501
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	5.58
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-chloro-4-methoxy-5-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)OC)NC(=O)N(CC2=CC=NC=C2)C3CC3

DOS

IR

Vibrations