Geometry & MOs

Info

ID:	71336
PubChem CID:	48414650
Reduced:	N4O5C19H22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	7.74
IP(EA), eV:	-9.29(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations