Geometry & MOs

Info

ID:	351824
PubChem CID:	127282224
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	3.42
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations