Geometry & MOs

Info

ID:	417849
PubChem CID:	135102908
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-77.83
Dipole, Da:	3.48
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-methoxy-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)N4CCOCC4

DOS

IR

Vibrations