Geometry & MOs

Info

ID:	446516
PubChem CID:	135275599
Reduced:	N4O4C29H44 (1)
Stoich.:	A4B4C29D44 (1)
Weight, g/mol:	448.179835
ΔH_f, kcal/mol:	-156.82
Dipole, Da:	5.09
IP(EA), eV:	-8.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-fluoro-5-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(6-methoxy-4-methylpyridin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCC(C(C1=CC2=C(CCN(C2)C(=O)OC(C)(C)C)C=C1)/C(=C/C=C(\C(=C)N)/N(CC)N)/C)C(=O)OC

DOS

IR

Vibrations