Geometry & MOs

Info

ID:	351556
PubChem CID:	127280448
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	6.2
IP(EA), eV:	-9.39(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations