Geometry & MOs

Info

ID:	284402
PubChem CID:	104046448
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	2.46
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCC2=CC=C(S2)Br

DOS

IR

Vibrations