Geometry & MOs

Info

ID:	330053
PubChem CID:	127247040
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	25.29
Dipole, Da:	3.82
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations