Geometry & MOs

Info

ID:	416410
PubChem CID:	135089423
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	4.96
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-5-phenyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations