Geometry & MOs

Info

ID:	426534
PubChem CID:	135145632
Reduced:	ClO4N8C38H41 (1)
Stoich.:	AB4C8D38E41 (1)
Weight, g/mol:	423.109817
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	7.85
IP(EA), eV:	-8.2(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(8-chloroquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-formylamino]propylcarbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CC[C@H](C4)O)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C(C)CC(=O)O)Cl

DOS

IR

Vibrations