Geometry & MOs

Info

ID:	75648
PubChem CID:	48423793
Reduced:	N2F3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-198.73
Dipole, Da:	4.5
IP(EA), eV:	-9.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(3-methylbutyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC#CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations