Geometry & MOs

Info

ID:	170899
PubChem CID:	75296130
Reduced:	N5O6C26H27 (1)
Stoich.:	A5B6C26D27 (1)
Weight, g/mol:	220.134241
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	7.55
IP(EA), eV:	-9.34(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-4-ol;hydrochloride

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOCC(=O)NCCCN)O

DOS

IR

Vibrations