Geometry & MOs

Info

ID:	418167
PubChem CID:	135103739
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	5.23
Dipole, Da:	7.95
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3)NC(=O)C

DOS

IR

Vibrations