Geometry & MOs

Info

ID:	275836
PubChem CID:	103818267
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	318.01162
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	3.22
IP(EA), eV:	-8.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)NCCNC(=O)OC(C)(C)C)C=CC=N2

DOS

IR

Vibrations