Geometry & MOs

Info

ID:	348121
PubChem CID:	127273183
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	26.85
Dipole, Da:	6.29
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(triazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCN(CC2)C(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations