Geometry & MOs

Info

ID:	420371
PubChem CID:	135112789
Reduced:	NO2C12H19 (2)
Stoich.:	AB2C12D19 (2)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-180.75
Dipole, Da:	3.66
IP(EA), eV:	-8.5(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC=C(C=C3)OCCCN4CCOCC4)O

DOS

IR

Vibrations