Geometry & MOs

Info

ID:	422934
PubChem CID:	135118646
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	6.8
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C=C2C(=O)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations