Geometry & MOs

Info

ID:	289375
PubChem CID:	104347791
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	303.119461
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	7.41
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CCC(CC2)NC(=O)C

DOS

IR

Vibrations