Geometry & MOs

Info

ID:	349328
PubChem CID:	127275115
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	4.64
IP(EA), eV:	-8.63(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)NC2=C(N(N=C2C)C)C

DOS

IR

Vibrations