Geometry & MOs

Info

ID:	360675
PubChem CID:	127301320
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	35.69
Dipole, Da:	3.64
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCN(CC2)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations