Geometry & MOs

Info

ID:	63317
PubChem CID:	26750591
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	7.27
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(C)C)OC

DOS

IR

Vibrations