Geometry & MOs

Info

ID:	361274
PubChem CID:	127302455
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	3.49
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations