Geometry & MOs

Info

ID:	346234
PubChem CID:	127270738
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	7.26
IP(EA), eV:	-9.09(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CN2CCCN(CC2)C(=O)N

DOS

IR

Vibrations