Geometry & MOs

Info

ID:	343170
PubChem CID:	127266343
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	338.160357
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	3.69
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[3-(2H-tetrazol-5-ylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CC(C1)NC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C

DOS

IR

Vibrations