Geometry & MOs

Info

ID:	187126
PubChem CID:	77533286
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	482.16333
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	4.67
IP(EA), eV:	-8.95(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[3-[(4-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-piperidin-3-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1CC(=NO1)C2=CCCC=C2

DOS

IR

Vibrations