Geometry & MOs

Info

ID:	243004
PubChem CID:	99214992
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	415.06439
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	4.21
IP(EA), eV:	-8.32(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-propan-2-yloxy-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H](C)NC(=O)C[C@H]2CCCC3=C2C=CC(=C3)OC)OC

DOS

IR

Vibrations