Geometry & MOs

Info

ID:	48606
PubChem CID:	11109912
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	317.152812
ΔH_f, kcal/mol:	-169.59
Dipole, Da:	3.84
IP(EA), eV:	-9.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-5-phenyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations