Geometry & MOs

Info

ID:	313929
PubChem CID:	126619010
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	463.166269
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	5.17
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[2-[4-[(4-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1CCC(=O)O)N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations