Geometry & MOs

Info

ID:	335778
PubChem CID:	127254640
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	5.42
IP(EA), eV:	-8.38(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations