Geometry & MOs

Info

ID:	313938
PubChem CID:	126619084
Reduced:	N3O5F7H26C28 (1)
Stoich.:	A3B5C7D26E28 (1)
Weight, g/mol:	379.14514
ΔH_f, kcal/mol:	-495.42
Dipole, Da:	8.89
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,7-dimethyl-6,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=C(C=C(C=C3)OCC4=CC=CC=C4C(F)(F)F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations