Geometry & MOs

Info

ID:	147694
PubChem CID:	53787351
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	392.267508
ΔH_f, kcal/mol:	88.74
Dipole, Da:	9.02
IP(EA), eV:	-8.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetamidophenyl) N-(8-methylnonan-2-yloxy)-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CCC1C(N=NN1C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations