Geometry & MOs

Info

ID:	365015
PubChem CID:	127316665
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	5.47
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyanilino)pyridin-3-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)CCC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations