Geometry & MOs

Info

ID:	335717
PubChem CID:	127254579
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	2.7
IP(EA), eV:	-8.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]hexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC(=O)CN3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations