Geometry & MOs

Info

ID:	277400
PubChem CID:	103828271
Reduced:	OSN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	5.36
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-pent-4-ynylquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations