Geometry & MOs

Info

ID:	420929
PubChem CID:	135115053
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	4.6
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCC3(CC2)C4=C(CCO3)SC=C4)C(=O)C5=NC=CN=C5

DOS

IR

Vibrations