Geometry & MOs

Info

ID:	195408
PubChem CID:	78682700
Reduced:	N3O7C20H25 (1)
Stoich.:	A3B7C20D25 (1)
Weight, g/mol:	322.213067
ΔH_f, kcal/mol:	-270.04
Dipole, Da:	5.17
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(butan-2-ylamino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations