Geometry & MOs

Info

ID:	323769
PubChem CID:	126676116
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	3.42
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CC3OC

DOS

IR

Vibrations