Geometry & MOs

Info

ID:	423893
PubChem CID:	135120657
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	322.156039
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	7.34
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[[2-(dimethylamino)ethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=C(N1)C=CS2)C3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations