Geometry & MOs

Info

ID:	430284
PubChem CID:	135170348
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	380.293997
ΔH_f, kcal/mol:	-62.64
Dipole, Da:	1.6
IP(EA), eV:	-7.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-dimethyl-N-propan-2-yl-9-(3-pyrrolidin-1-ylpropyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

CC1(CCC2=C(N1)C3=CC(=C(C=C3N=C2)OCCCN4CCCC4)OC)C

DOS

IR

Vibrations