Geometry & MOs

Info

ID:	161606
PubChem CID:	57392121
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	370.134223
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	1.58
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN(N=N2)C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations