Geometry & MOs

Info

ID:	38516
PubChem CID:	8136960
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	3.91
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)NC2CC2)OCC#N

DOS

IR

Vibrations