Geometry & MOs

Info

ID:	331724
PubChem CID:	127249807
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	10.64
Dipole, Da:	2.4
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyridin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCC2=C1)CN3CCOC(C3)C4=NC(=CC=C4)NC5=NC=CC=N5

DOS

IR

Vibrations