Geometry & MOs

Info

ID:	418351
PubChem CID:	135104256
Reduced:	O3N6C14H20 (1)
Stoich.:	A3B6C14D20 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	3.57
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-[(1,3-dimethylpyrazol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(6-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C2=NC(=NC3=C2NC=N3)N)C(=O)O

DOS

IR

Vibrations