Geometry & MOs

Info

ID:	365042
PubChem CID:	127316692
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	2.57
IP(EA), eV:	-8.85(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations