Geometry & MOs

Info

ID:	284425
PubChem CID:	104046504
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	1.6
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[(3-nitrophenyl)methylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(C2CC2)C(=O)OC

DOS

IR

Vibrations