Geometry & MOs

Info

ID:	387081
PubChem CID:	134983916
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	316.236208
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	6.27
IP(EA), eV:	-9.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-[(3-butoxy-3-oxopropyl)-(dimethylamino)amino]propanoate

Drug info:

PubChemData

Smile

CC1(CC(C1N2CCCCC2C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations