Geometry & MOs

Info

ID:	69342
PubChem CID:	46530758
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	6.57
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(piperidine-1-carbonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C)C#N

DOS

IR

Vibrations