Geometry & MOs

Info

ID:	297020
PubChem CID:	117606265
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	16.28
Dipole, Da:	4.49
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-ynylcyclopenta-1,3-diene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C(=O)N

DOS

IR

Vibrations