Geometry & MOs

Info

ID:	69779
PubChem CID:	47205386
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	306.086056
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	7.76
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-4-(1,3-dithiolan-2-yl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C)C#N

DOS

IR

Vibrations