Geometry & MOs

Info

ID:	358168
PubChem CID:	127295713
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	4.16
IP(EA), eV:	-8.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=CC(=NC=C2)N3CCOCC3

DOS

IR

Vibrations