Geometry & MOs

Info

ID:	427083
PubChem CID:	135155393
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	2.41
IP(EA), eV:	-7.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-N-propan-2-yl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C(=N2)NCC4CCC4)OCCCN5CCCC5

DOS

IR

Vibrations