Geometry & MOs

Info

ID:	333246
PubChem CID:	127251795
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	5.72
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC(=CC=C4)OC)C(=N2)NC

DOS

IR

Vibrations