Geometry & MOs

Info

ID:	421567
PubChem CID:	135116239
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-82.52
Dipole, Da:	5.26
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(N=C(O3)C)C

DOS

IR

Vibrations