Geometry & MOs

Info

ID:	130209
PubChem CID:	51075269
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	270.063841
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-4-(difluoromethylsulfanyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCC(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations