Geometry & MOs

Info

ID:	155143
PubChem CID:	56320805
Reduced:	IN3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	432.192818
ΔH_f, kcal/mol:	-98.49
Dipole, Da:	8.82
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)piperazin-1-yl]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2I)OC)OC

DOS

IR

Vibrations