Geometry & MOs

Info

ID:	334920
PubChem CID:	127253726
Reduced:	N3O6C31H39 (1)
Stoich.:	A3B6C31D39 (1)
Weight, g/mol:	426.205576
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	5.36
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-pyridin-2-ylquinoline-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCCCC3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations