Geometry & MOs

Info

ID:	55645
PubChem CID:	17395726
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	7.15
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)C(C)C

DOS

IR

Vibrations