Geometry & MOs

Info

ID:	122368
PubChem CID:	50803930
Reduced:	NOC7H10 (4)
Stoich.:	ABC7D10 (4)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-169.68
Dipole, Da:	1.88
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)NCCN(C)CC3=CC=CC=C3)C

DOS

IR

Vibrations