Geometry & MOs

Info

ID:	188641
PubChem CID:	77747363
Reduced:	FON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	567.180395
ΔH_f, kcal/mol:	41.59
Dipole, Da:	1.36
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) N-[1-[1-(5-aminopyridin-2-yl)piperidine-4-carbonyl]-4-(4-chlorophenyl)pyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1C2C13C2(N=C(OC3)N)C4=C(C=CC(=C4)N)F

DOS

IR

Vibrations