Geometry & MOs

Info

ID:	26581
PubChem CID:	653173
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	6.09
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridin-3-yl-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide

Drug info:

PubChemData

Smile

CCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

DOS

IR

Vibrations