Geometry & MOs

Info

ID:	367365
PubChem CID:	127324317
Reduced:	ON6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyloxetan-3-yl)methyl]-3-(2-pyrazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCCC(C2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations