Geometry & MOs

Info

ID:	256092
PubChem CID:	103136951
Reduced:	BrN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	66.86
Dipole, Da:	4.15
IP(EA), eV:	-8.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 3-amino-4-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C3C=NC=CC3=C(C=C2)N)Br

DOS

IR

Vibrations