Geometry & MOs

Info

ID:	316152
PubChem CID:	126630221
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	451.207133
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	2.72
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(1,1-difluoro-2-phenylethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)CCN2CCC3=NC(=NC=C3C2)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations