Geometry & MOs

Info

ID:	44538
PubChem CID:	10503953
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	455.269654
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	1.92
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-butyl-7-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-hydroxyimino-5,6-dihydropyrrolo[2,3-c]azepin-8-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCCOC2=CC=C(C=C2)CC(=O)N3C4=CC=CC=C4C(=O)NC5=CC=CC=C53

DOS

IR

Vibrations