Geometry & MOs

Info

ID:	430124
PubChem CID:	135170185
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	379.298748
ΔH_f, kcal/mol:	46.23
Dipole, Da:	3.45
IP(EA), eV:	-9.06(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-2,2,5-trimethyl-8-(4-pyrrolidin-1-ylbutyl)-3,4-dihydro-1H-benzo[h][1,6]naphthyridine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(CCC2)C(=NC)NN

DOS

IR

Vibrations