Geometry & MOs

Info

ID:	189496
PubChem CID:	77866121
Reduced:	N2O13C31H51 (1)
Stoich.:	A2B13C31D51 (1)
Weight, g/mol:	396.277678
ΔH_f, kcal/mol:	-621.03
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.896618
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CCCCOCCN1C(=O)C(=C)C=[N+](C1=O)COC(COC(=O)OC(C)(C)C)C(COC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C

DOS

IR

Vibrations