Geometry & MOs

Info

ID:	71184
PubChem CID:	48414417
Reduced:	N3O5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-206.18
Dipole, Da:	4.91
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(2-nitroanilino)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)NCCC(=O)NC(CN1CCOCC1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations