Geometry & MOs

Info

ID:	265481
PubChem CID:	103524762
Reduced:	BrO2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	6.49
Dipole, Da:	3.03
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(C2=C(C(=C(C=C2)OC)Br)OC)NN)C

DOS

IR

Vibrations