Geometry & MOs

Info

ID:	144470
PubChem CID:	53374458
Reduced:	O3N5H29C30 (1)
Stoich.:	A3B5C29D30 (1)
Weight, g/mol:	522.243104
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.29
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(3-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3CN(CC4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations