Geometry & MOs

Info

ID:	234276
PubChem CID:	92298081
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	3.48
IP(EA), eV:	-8.84(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-butan-2-yl]phenyl]-4-chlorobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC=CC=C3O)/C(=O)N2)Cl

DOS

IR

Vibrations