Geometry & MOs

Info

ID:	189387
PubChem CID:	77849031
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	5.44
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyrrolidin-1-ylmethyl)-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC3CCC(C2)N3C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations