Geometry & MOs

Info

ID:	422231
PubChem CID:	135117449
Reduced:	ClON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	363.190654
ΔH_f, kcal/mol:	-7.45
Dipole, Da:	5.3
IP(EA), eV:	-9.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations