Geometry & MOs

Info

ID:	309372
PubChem CID:	126545752
Reduced:	N5C9H23 (1)
Stoich.:	A5B9C23 (1)
Weight, g/mol:	546.171308
ΔH_f, kcal/mol:	30.99
Dipole, Da:	1.42
IP(EA), eV:	-8.87(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,11S)-3-(2-aminoethyl)-4-oxo-2,5-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-11-yl]-5-chloro-1-(3-chloro-2-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCNCCNCCNCCN=NC

DOS

IR

Vibrations