Geometry & MOs

Info

ID:	418302
PubChem CID:	135104109
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	4.15
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethoxy-4-methoxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations