Geometry & MOs

Info

ID:	426680
PubChem CID:	135153307
Reduced:	ClSN4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	71.53
Dipole, Da:	5.47
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-butan-2-yl]-2-nitrophenyl]-N-(2-methylpropyl)oxan-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C(=NC1(C)C)C3=CN4C(=CC=N4)N=C3)SC=C2)C.Cl

DOS

IR

Vibrations