Geometry & MOs

Info

ID:	416616
PubChem CID:	135089832
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	4.59
IP(EA), eV:	-9.15(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations