Geometry & MOs

Info

ID:	221182
PubChem CID:	85257165
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	3.84
IP(EA), eV:	-10.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2-acetamido-3-phenylpropanoyl)amino]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1OC(OO1)CCCC2OC(OO2)(C#N)C3=CC=CC=C3

DOS

IR

Vibrations