Geometry & MOs

Info

ID:	163253
PubChem CID:	57655097
Reduced:	NPC24H29 (1)
Stoich.:	ABC24D29 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	60.7
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.944124
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dioxopyrrol-1-yl)-N-[3-(methylamino)propyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CCCCCCN)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations