Geometry & MOs

Info

ID:	358386
PubChem CID:	127295931
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-121.03
Dipole, Da:	5.82
IP(EA), eV:	-8.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-(1-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations