Geometry & MOs

Info

ID:	172756
PubChem CID:	75548136
Reduced:	FO3N5C28H34 (1)
Stoich.:	AB3C5D28E34 (1)
Weight, g/mol:	337.21139
ΔH_f, kcal/mol:	-134.16
Dipole, Da:	5.47
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2,4-dimethyl-1,5-dioxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3NN(C(=O)N3C4CC(CCC4C2=O)C(=O)NC(C)C)CC5=CC(=CC=C5)F

DOS

IR

Vibrations