Geometry & MOs

Info

ID:	187127
PubChem CID:	77533733
Reduced:	ClFO2N6C24H24 (1)
Stoich.:	ABC2D6E24F24 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	2.88
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CNC1)NC(=O)C2=NC(=CN=C2N)C3=CC(=CC=C3)C(=O)NCC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations