Geometry & MOs

Info

ID:	358405
PubChem CID:	127295950
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	5.64
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations