Geometry & MOs

Info

ID:	140610
PubChem CID:	52729672
Reduced:	OSN2C20H28 (1)
Stoich.:	ABC2D20E28 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-33.73
Dipole, Da:	2.99
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-anilinophenyl)-3-methyl-N-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)N(C2=CC=CC=C2)C3=NCCS3

DOS

IR

Vibrations