Geometry & MOs

Info

ID:	145239
PubChem CID:	53484193
Reduced:	N4O6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	289.101561
ΔH_f, kcal/mol:	-244.9
Dipole, Da:	6.88
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NCCCN(C1=CC(=CC=C1)OC)C(=O)CCCCC(=O)N(CCNC(=O)C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations