Geometry & MOs

Info

ID:	83670
PubChem CID:	49859855
Reduced:	N3O7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	299.148121
ΔH_f, kcal/mol:	-269.87
Dipole, Da:	12.52
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide;oxalic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(C2=CC=CC=C2)O)CCN3C(=O)C4=CC=CC=C4NC3=O.C(=O)(C(=O)O)O

DOS

IR

Vibrations