Geometry & MOs

Info

ID:	434541
PubChem CID:	135175149
Reduced:	ClO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	486.320606
ΔH_f, kcal/mol:	1.99
Dipole, Da:	5.26
IP(EA), eV:	-8.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[[1-(4-cyanophenyl)ethylamino]-hydroxymethyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,4-dimethylpentanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NCC4=CC=CC=C4Cl

DOS

IR

Vibrations