Geometry & MOs

Info

ID:	256170
PubChem CID:	103137518
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	79.88
Dipole, Da:	2.8
IP(EA), eV:	-8.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl-[(5-methyloxolan-2-yl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations