Geometry & MOs

Info

ID:	206035
PubChem CID:	80192513
Reduced:	ClOSN2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	25.61
Dipole, Da:	7.58
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2=C(C=CC(=C2)C#N)Cl

DOS

IR

Vibrations