Geometry & MOs

Info

ID:	75572
PubChem CID:	48423676
Reduced:	BrN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-104.48
Dipole, Da:	3.69
IP(EA), eV:	-9.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)-2-methylpropyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Br)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations