Geometry & MOs

Info

ID:	422487
PubChem CID:	135117916
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	325.119319
ΔH_f, kcal/mol:	22.05
Dipole, Da:	5.17
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-3,4-dimethoxyphenyl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC=CS2)C(=O)NCCN3C=C(C=N3)Cl)C

DOS

IR

Vibrations