Geometry & MOs

Info

ID:	323755
PubChem CID:	126676013
Reduced:	ClPN3O8C21H27 (1)
Stoich.:	ABC3D8E21F27 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-395.95
Dipole, Da:	6.58
IP(EA), eV:	-9.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-propan-2-ylphenyl)ethynyl]-2,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)OCCNP(=O)(OCC1CC(C(O1)N2C=CC(=O)NC2=O)Cl)OC3=CC=CC=C3

DOS

IR

Vibrations