Geometry & MOs

Info

ID:	82272
PubChem CID:	49855832
Reduced:	NO2C18H31 (2)
Stoich.:	AB2C18D31 (2)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-240.2
Dipole, Da:	2.61
IP(EA), eV:	-8.75(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-(1-methylpyrrole-2-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCOCCN(CCOCCOCCN1CCC23CC4CC(C2)CC(C4)C3)CCC56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations