Geometry & MOs

Info

ID:	229146
PubChem CID:	87567058
Reduced:	N9H19C33 (1)
Stoich.:	A9B19C33 (1)
Weight, g/mol:	460.239579
ΔH_f, kcal/mol:	367.91
Dipole, Da:	1.1
IP(EA), eV:	-7.9(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butan-2-ylphenyl) N-methylcarbamate;S-(4-phenoxybutyl) N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC4=C5C(=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3)C=CC=C5C=N

DOS

IR

Vibrations