Geometry & MOs

Info

ID:	139288
PubChem CID:	52504406
Reduced:	N2O2C11H16 (2)
Stoich.:	A2B2C11D16 (2)
Weight, g/mol:	353.081016
ΔH_f, kcal/mol:	-151.43
Dipole, Da:	8.89
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-4,6-dichloro-1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3)[C@@H]4CCOC4

DOS

IR

Vibrations