Geometry & MOs

Info

ID:	156299
PubChem CID:	56370010
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-139.06
Dipole, Da:	5.95
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O)OCC(=O)N

DOS

IR

Vibrations