Geometry & MOs

Info

ID:	74734
PubChem CID:	48422374
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	2.87
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-acetyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C#C)OCC2CC2

DOS

IR

Vibrations