Geometry & MOs

Info

ID:	351735
PubChem CID:	127282135
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	6.5
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)C(C)C(=O)NC4CCCC4

DOS

IR

Vibrations