Geometry & MOs

Info

ID:	369354
PubChem CID:	127332423
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	5.37
IP(EA), eV:	-8.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations