Geometry & MOs

Info

ID:	304353
PubChem CID:	124558498
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	43.4
Dipole, Da:	12.75
IP(EA), eV:	-9.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S)-2-methyl-N-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H]2C[C@@H]1C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NN4C=NN=C4

DOS

IR

Vibrations