Geometry & MOs

Info

ID:	62964
PubChem CID:	26737813
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	35.0
Dipole, Da:	5.5
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations