Geometry & MOs

Info

ID:	335952
PubChem CID:	127254959
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	2.23
IP(EA), eV:	-8.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCCCC4

DOS

IR

Vibrations