Geometry & MOs

Info

ID:	421614
PubChem CID:	135116302
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	4.26
IP(EA), eV:	-8.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)C(C)C(=O)N(C)CC

DOS

IR

Vibrations