Geometry & MOs

Info

ID:	414923
PubChem CID:	135087895
Reduced:	SO4N7C31H41 (1)
Stoich.:	AB4C7D31E41 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)-6-hydroxy-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)CC3=CN4C=CSC4=N3)C(=O)CC5=CN=CC=C5

DOS

IR

Vibrations