Geometry & MOs

Info

ID:	76315
PubChem CID:	48424773
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	4.18
IP(EA), eV:	-8.18(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2CCN(C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations