Geometry & MOs

Info

ID:	313951
PubChem CID:	126619168
Reduced:	ClF2O2N3C28H30 (1)
Stoich.:	AB2C2D3E28F30 (1)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	6.19
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)C(CC4=C(C=C(C=C4)Cl)F)F

DOS

IR

Vibrations