Geometry & MOs

Info

ID:	305463
PubChem CID:	124955685
Reduced:	ClO2N6C14H17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	1.4
IP(EA), eV:	-9.02(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazol-1-yl-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C[C@@]1(CNC(=O)CN2C=C(C=N2)Cl)O)C3=NC=CC=N3

DOS

IR

Vibrations