Geometry & MOs

Info

ID:	258712
PubChem CID:	103156522
Reduced:	BrN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	232.178693
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	8.39
IP(EA), eV:	-9.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])Br)CN

DOS

IR

Vibrations