Geometry & MOs

Info

ID:	148447
PubChem CID:	53788109
Reduced:	NOS2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	43.57
Dipole, Da:	2.54
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-(4-methylphenyl)ethyl]-2-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CNC(C3=C2SC=C3)C4=CC=CS4

DOS

IR

Vibrations