Geometry & MOs

Info

ID:	401100
PubChem CID:	135050115
Reduced:	BrN4O6C15H23 (1)
Stoich.:	AB4C6D15E23 (1)
Weight, g/mol:	330.148061
ΔH_f, kcal/mol:	-299.24
Dipole, Da:	5.42
IP(EA), eV:	-9.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzotriazol-1-yl)-1-(furan-2-yl)-N-(2,4,6-trimethylphenyl)methanimine

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@@H]([C@H](O[C@H](C1(NC(=O)C)NC(=O)C)NC(=O)C)Br)NC(=O)C

DOS

IR

Vibrations