Geometry & MOs

Info

ID:	426207
PubChem CID:	135142662
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	5.19
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-3-methylbutyl)-2-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)CC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)O

DOS

IR

Vibrations