Geometry & MOs

Info

ID:	358798
PubChem CID:	127296666
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	34.82
Dipole, Da:	2.4
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzotriazol-5-yl)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=NC=CC=N3

DOS

IR

Vibrations