Geometry & MOs

Info

ID:	333391
PubChem CID:	127251943
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	23.83
Dipole, Da:	7.56
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)CC4=CN(C5=CC=CC=C54)C)C(=N2)NC

DOS

IR

Vibrations