Geometry & MOs

Info

ID:	430128
PubChem CID:	135170189
Reduced:	NC12H13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	335.236148
ΔH_f, kcal/mol:	49.07
Dipole, Da:	1.43
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-2,2-dimethyl-8-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-benzo[h][1,6]naphthyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CN3CCCC3)N=C(C4=C2CCC4)C5=CC=CC=C5

DOS

IR

Vibrations