Geometry & MOs

Info

ID:	306118
PubChem CID:	125001676
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	6.66
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-quinolin-5-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@@H]2CCN(C2)C(=O)C3=CC(=CC=C3)OC)C)CC(=O)NC

DOS

IR

Vibrations