Geometry & MOs

Info

ID:	186626
PubChem CID:	77457107
Reduced:	F2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	539.244501
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	4.04
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-amino-6-(3-methoxypropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)C2=C(N=CC=C2)NC(CO)C3=CC=CC=C3

DOS

IR

Vibrations