Geometry & MOs

Info

ID:	348119
PubChem CID:	127273181
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	4.98
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)N4C=CN=N4

DOS

IR

Vibrations