Geometry & MOs

Info

ID:	369338
PubChem CID:	127332366
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-160.9
Dipole, Da:	1.23
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)NC(=O)CC2)NC(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations