Geometry & MOs

Info

ID:	74933
PubChem CID:	48422712
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	5.43
IP(EA), eV:	-9.21(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations