Geometry & MOs

Info

ID:	169448
PubChem CID:	75105632
Reduced:	O4N5C14H15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	465.104454
ΔH_f, kcal/mol:	92.01
Dipole, Da:	2.63
IP(EA), eV:	-8.64(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC3=NC(=O)C(=O)N=C3C=C2[N+](=O)[O-]

DOS

IR

Vibrations