Geometry & MOs

Info

ID:	346677
PubChem CID:	127271181
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	-127.65
Dipole, Da:	7.59
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations