Geometry & MOs

Info

ID:	357286
PubChem CID:	127293919
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-33.71
Dipole, Da:	4.52
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxolan-3-yl)-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)NC(=O)N(C)C3CCOC3

DOS

IR

Vibrations