Geometry & MOs

Info

ID:	191501
PubChem CID:	78154834
Reduced:	O3N6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	155.071306
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	8.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.072919
Charge, e:	0

Chem-info

IUPAC name:

3-aminocyclopentan-1-ol;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCC[N+]3=C4C=CC=CC4=NC(=O)C3=O)C

DOS

IR

Vibrations