Geometry & MOs

Info

ID:	336071
PubChem CID:	127255078
Reduced:	BrN2O4H25C34 (1)
Stoich.:	AB2C4D25E34 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	42.75
Dipole, Da:	3.23
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxypyridin-3-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations