Geometry & MOs

Info

ID:	421991
PubChem CID:	135116975
Reduced:	O5N6C38H42 (1)
Stoich.:	A5B6C38D42 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	6.55
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)C3=CC=CC=C3N4C=CC=N4)C(=O)C5=CC=CC=C5)CC6=CC7=C(C=C6)OCCO7

DOS

IR

Vibrations