Geometry & MOs

Info

ID:	174176
PubChem CID:	75734817
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-113.31
Dipole, Da:	8.36
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[1-(butylamino)-1-oxopent-3-en-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C(=O)C2=CC=CC=C2OC)C(C)(C)C

DOS

IR

Vibrations