Geometry & MOs

Info

ID:	297957
PubChem CID:	117636657
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	2.12
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[5-(methylamino)-6-oxoheptyl]-3,4-dihydro-2H-pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(N2CCN3CCN(CC3)C(=O)OC(C)(C)C)C#N)C=O

DOS

IR

Vibrations