Geometry & MOs

Info

ID:	423069
PubChem CID:	135118868
Reduced:	NS2O5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	366.182254
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	10.13
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(5-chloro-2,3-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations