Geometry & MOs

Info

ID:	365224
PubChem CID:	127317072
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	1.55
IP(EA), eV:	-8.41(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC3(CCCC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations