Geometry & MOs

Info

ID:	423428
PubChem CID:	135119490
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	4.71
IP(EA), eV:	-9.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)CC(=O)NCCC2=NC=CN=C2)C)C(=O)C

DOS

IR

Vibrations