Geometry & MOs

Info

ID:	311082
PubChem CID:	126589247
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	393.155178
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	3.96
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-cyclopropyl-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OC)NC(=S)OC)C

DOS

IR

Vibrations