Geometry & MOs

Info

ID:	313962
PubChem CID:	126619188
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	443.080347
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	11.93
IP(EA), eV:	-8.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCN1CCC2=C(C1)C=NC(=C3C=CC(=O)C=C3)N2

DOS

IR

Vibrations