Geometry & MOs

Info

ID:	169807
PubChem CID:	75152415
Reduced:	FCl2N2O2C5H13 (1)
Stoich.:	AB2C2D2E5F13 (1)
Weight, g/mol:	671.417733
ΔH_f, kcal/mol:	-210.66
Dipole, Da:	2.23
IP(EA), eV:	-9.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-3-hydroxy-2,2-dimethyl-N-(4-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

C(CN)C(C(C(=O)O)N)F.Cl.Cl

DOS

IR

Vibrations