Geometry & MOs

Info

ID:	74497
PubChem CID:	48421959
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	3.79
IP(EA), eV:	-8.27(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCCN(C)C1=CC=CC=C1)OCC2CC2

DOS

IR

Vibrations