Geometry & MOs

Info

ID:	445341
PubChem CID:	135266272
Reduced:	N3O5C31H43 (1)
Stoich.:	A3B5C31D43 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	3.42
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-1,2-dimethyl-4-(3-piperazin-1-ylphenyl)pyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1C=C(C=C2C1C=NC=C2)NC(=O)C(CNC(=O)OC(C)(C)C)C3C=C[C@@H]3[C@H](C)[C@H](C)OC(=O)C4(CC4)C

DOS

IR

Vibrations