Geometry & MOs

Info

ID:	321963
PubChem CID:	126667541
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	436.233522
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	4.87
IP(EA), eV:	-9.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(3R)-3-aminopiperidin-1-yl]-9-but-2-ynyl-2-methyl-6-[(4-methylpyrimidin-2-yl)methyl]-4-oxa-2,6,9,11-tetrazatricyclo[6.3.0.03,5]undeca-1(8),10-dien-7-one

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\C(=O)C(=O)O

DOS

IR

Vibrations