Geometry & MOs

Info

ID:	361273
PubChem CID:	127302454
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	15.85
Dipole, Da:	3.04
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)NC3=CN4C=C(N=C4C=C3)C

DOS

IR

Vibrations