Geometry & MOs

Info

ID:	62965
PubChem CID:	26737820
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	4.31
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC(C)C)C)C

DOS

IR

Vibrations