Geometry & MOs

Info

ID:	141345
PubChem CID:	52864248
Reduced:	BrClON5H13C14 (1)
Stoich.:	ABCD5E13F14 (1)
Weight, g/mol:	360.173032
ΔH_f, kcal/mol:	39.0
Dipole, Da:	1.56
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2C(=N1)Br)NC[C@@H](C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations