Geometry & MOs

Info

ID:	442301
PubChem CID:	135251146
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-124.01
Dipole, Da:	8.43
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)amino]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2C)C(OCC3(C)C)(C)C

DOS

IR

Vibrations