Geometry & MOs

Info

ID:	75870
PubChem CID:	48424091
Reduced:	NF2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	2.3
IP(EA), eV:	-9.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1=C(C=C(C=C1)F)F)C2CC2)OCC3CC3

DOS

IR

Vibrations