Geometry & MOs

Info

ID:	335636
PubChem CID:	127254498
Reduced:	N2O5H32C41 (1)
Stoich.:	A2B5C32D41 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	3.75
IP(EA), eV:	-8.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridin-3-yl-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)[C@H]2[C@H]([C@]3(C4N2C5=CC=CC=C5C=C4)C6=CC=CC=C6NC3=O)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations