Geometry & MOs

Info

ID:	173273
PubChem CID:	75614922
Reduced:	FON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	4.84
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-but-2-ynyl-9-(2-methylpropyl)-N-propan-2-yl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCC2C3=NC(=NO3)C4=NC=C(C=C4)F

DOS

IR

Vibrations