Geometry & MOs

Info

ID:	39219
PubChem CID:	8139934
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-167.54
Dipole, Da:	8.19
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(3R)-3-acetamido-3-phenylpropanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations