Geometry & MOs

Info

ID:	77384
PubChem CID:	48427431
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-73.39
Dipole, Da:	6.79
IP(EA), eV:	-9.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC(C)C(=O)N(CC#C)CC1=CC=C(C=C1)C

DOS

IR

Vibrations