Geometry & MOs

Info

ID:	44481
PubChem CID:	10503738
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	450.345758
ΔH_f, kcal/mol:	90.82
Dipole, Da:	7.89
IP(EA), eV:	-8.37(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-butoxy-3-(diethylamino)propan-2-yl] N-(2-octoxyphenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(C1=CN(C2=CC=CC=C21)C)N3C4=CC=CC=C4N=N3)/C(=C\O)/C5=CC=CC=C5

DOS

IR

Vibrations