Geometry & MOs

Info

ID:	284401
PubChem CID:	104046445
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	302.99286
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	4.06
IP(EA), eV:	-9.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-bromothiophen-2-yl)methylamino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC(C2CC2)C(=O)OC

DOS

IR

Vibrations