Geometry & MOs

Info

ID:	121860
PubChem CID:	50784419
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	3.06
IP(EA), eV:	-8.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NC3=CC=CC(=C3)CCC4=NC5=CC=CC=C5N4C

DOS

IR

Vibrations