Geometry & MOs

Info

ID:	261702
PubChem CID:	103246467
Reduced:	BrNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	3.14
IP(EA), eV:	-8.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[4-(dimethylamino)butan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CC(CC1=CSC=C1)NCC(C(=O)OC)Br

DOS

IR

Vibrations