Geometry & MOs

Info

ID:	414298
PubChem CID:	135087254
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	4.29
IP(EA), eV:	-9.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-methoxy-3-prop-2-enylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC(=O)N[C@@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=N3)C

DOS

IR

Vibrations