Geometry & MOs

Info

ID:	416419
PubChem CID:	135089432
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	2.84
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC4=CC=CC=C4C=C3)CO

DOS

IR

Vibrations