Geometry & MOs

Info

ID:	419700
PubChem CID:	135108720
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	2.8
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(N=C(S3)N)C

DOS

IR

Vibrations