Geometry & MOs

Info

ID:	446527
PubChem CID:	135275672
Reduced:	O3N4C30H36 (1)
Stoich.:	A3B4C30D36 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	7.27
IP(EA), eV:	-8.25(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)OC)C2=CC3=C(CCCN(C3)C(=O)C4=CC=CC=C4)C=C2)C)N)N

DOS

IR

Vibrations