Geometry & MOs

Info

ID:	433086
PubChem CID:	135173223
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	4.9
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(9,12-dioxa-1,15,20-triazatetracyclo[12.7.0.03,8.016,21]henicosa-3,5,7,14,16(21),17,19-heptaen-19-yl)pyrimidin-2-yl]propan-2-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NC3=C(N12)N=C(C=C3)C4=CC(=NC=C4)OC5CCCC(C5)O

DOS

IR

Vibrations