Geometry & MOs

Info

ID:	316158
PubChem CID:	126630236
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	451.207133
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(1,1-difluoro-2-phenylethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)C(CC4=CC=CC=C4)F)CCCC(=O)O

DOS

IR

Vibrations