Geometry & MOs

Info

ID:	420836
PubChem CID:	135114907
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	4.93
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1)C(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations