Geometry & MOs

Info

ID:	370004
PubChem CID:	127337122
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	5.57
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3=CN=C(C=C3)OC4CCCC4

DOS

IR

Vibrations