Geometry & MOs

Info

ID:	149034
PubChem CID:	53788705
Reduced:	ON2C14H23 (2)
Stoich.:	AB2C14D23 (2)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	7.44
IP(EA), eV:	-8.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7R,9aS)-2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1(CC(CC(N1C)(C)C)N(C2CC(N(C(C2)(C)C)C)(C)C)C(=O)C3=CC=C(C=C3)C(=O)N)C

DOS

IR

Vibrations