Geometry & MOs

Info

ID:	145531
PubChem CID:	53540054
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-121.18
Dipole, Da:	6.38
IP(EA), eV:	-9.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(ON=C2C)C)C(=O)N

DOS

IR

Vibrations