Geometry & MOs

Info

ID:	313945
PubChem CID:	126619162
Reduced:	N3O3F4C27H27 (1)
Stoich.:	A3B3C4D27E27 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	-265.13
Dipole, Da:	9.6
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[(2-chloro-6-ethylphenyl)methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(F)(F)F)COC2=CC(=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)F

DOS

IR

Vibrations