Geometry & MOs

Info

ID:	416516
PubChem CID:	135089540
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	2.84
IP(EA), eV:	-8.65(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CCCCC3=CC=CC=C3)O

DOS

IR

Vibrations