Geometry & MOs

Info

ID:	161562
PubChem CID:	57392003
Reduced:	NOF2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	531.266797
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	3.73
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methyl]-N-ethyl-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3C(O2)CF)CC4=CC=C(C=C4)F

DOS

IR

Vibrations