Geometry & MOs

Info

ID:	446525
PubChem CID:	135275664
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-158.5
Dipole, Da:	1.06
IP(EA), eV:	-9.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-(5,6,7,8-tetrahydro-1,7-naphthyridin-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C=C2)/C=C/C(=O)OC

DOS

IR

Vibrations