Geometry & MOs

Info

ID:	419183
PubChem CID:	135107684
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	5.01
IP(EA), eV:	-8.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(3S,4R)-4-hydroxyoxolan-3-yl]-methylamino]-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)N(C)CC(CO)O

DOS

IR

Vibrations