Geometry & MOs

Info

ID:	422659
PubChem CID:	135118204
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	4.98
IP(EA), eV:	-8.86(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(5-phenyl-1H-pyrazole-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCC2(C1)CCN(CC2)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations